==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-DEC-95 9ICH . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 1 1 3 2 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A E 0 0 214 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -11.4 67.2 58.0 56.7 2 10 A T + 0 0 120 37,-0.1 3,-0.4 3,-0.0 4,-0.3 0.116 360.0 84.1-174.0 -23.4 66.9 58.9 60.4 3 11 A L S S+ 0 0 53 1,-0.3 42,-0.2 36,-0.1 3,-0.1 0.850 113.1 23.3 -63.7 -28.9 65.0 62.1 60.3 4 12 A N S > S+ 0 0 10 35,-0.2 4,-2.0 40,-0.1 5,-0.3 0.214 92.0 127.5-119.4 13.7 61.9 60.0 60.1 5 13 A G H >> S+ 0 0 16 -3,-0.4 4,-1.7 1,-0.2 3,-0.9 0.816 71.2 41.3 -31.0 -79.4 63.5 56.9 61.7 6 14 A G H 3> S+ 0 0 40 -4,-0.3 4,-2.9 1,-0.3 5,-0.3 0.876 112.9 55.1 -44.4 -53.5 61.0 56.0 64.6 7 15 A I H 3> S+ 0 0 6 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.865 110.1 46.8 -54.6 -36.8 57.9 56.8 62.4 8 16 A T H S+ 0 0 36 -4,-1.4 5,-1.1 -5,-0.3 4,-0.8 0.929 106.9 48.6 -73.4 -42.3 51.9 42.6 62.4 18 26 A E H <5S+ 0 0 9 -4,-2.0 6,-1.4 1,-0.2 -2,-0.2 0.963 111.2 52.3 -59.2 -47.1 48.9 42.7 60.0 19 27 A K H <5S+ 0 0 75 -4,-2.2 -1,-0.2 5,-0.2 -2,-0.2 0.911 122.0 25.5 -53.2 -55.2 50.6 40.5 57.6 20 28 A N H <5S+ 0 0 23 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.985 126.3 35.0 -79.0 -71.0 51.5 37.7 60.1 21 29 A V T <5S+ 0 0 30 -4,-0.8 -3,-0.2 -5,-0.3 2,-0.1 0.959 131.9 18.5 -51.6 -62.1 49.2 37.6 63.0 22 30 A S S + 0 0 21 -6,-1.4 4,-4.4 -2,-0.3 5,-0.4 -0.467 14.4 169.2-107.5 59.7 45.4 42.0 56.5 25 33 A I H > S+ 0 0 90 -2,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.740 79.4 47.1 -36.9 -37.0 47.4 42.2 53.4 26 34 A H H > S+ 0 0 145 2,-0.3 4,-4.0 3,-0.2 -1,-0.3 0.980 112.7 44.3 -75.9 -54.3 46.0 45.6 52.7 27 35 A K H > S+ 0 0 113 1,-0.3 4,-3.2 2,-0.2 -2,-0.2 0.921 120.2 46.9 -51.5 -43.5 46.5 47.1 56.2 28 36 A Y H X S+ 0 0 32 -4,-4.4 4,-1.5 2,-0.2 -1,-0.3 0.858 112.0 45.5 -67.3 -39.2 49.7 45.6 55.8 29 37 A N H X S+ 0 0 77 -4,-1.5 4,-1.5 -5,-0.4 -2,-0.2 0.808 112.2 57.7 -74.5 -25.9 50.3 46.8 52.3 30 38 A A H X S+ 0 0 31 -4,-4.0 4,-1.9 2,-0.2 3,-0.5 0.969 102.9 49.4 -64.1 -56.9 49.0 50.1 53.6 31 39 A Y H X S+ 0 0 13 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.855 109.4 54.8 -52.3 -41.7 51.6 50.4 56.3 32 40 A R H X S+ 0 0 139 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.842 104.4 47.8 -66.9 -37.5 54.4 49.7 53.9 33 41 A K H >X S+ 0 0 77 -4,-1.5 4,-2.3 -3,-0.5 3,-0.8 0.940 114.1 50.2 -68.5 -41.2 53.8 52.2 51.3 34 42 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 5,-0.5 0.974 107.9 51.6 -55.9 -55.5 53.5 54.8 54.1 35 43 A A H 3< S+ 0 0 12 -4,-2.8 -1,-0.3 1,-0.2 4,-0.2 0.702 110.7 54.4 -55.2 -15.9 56.7 53.6 55.6 36 44 A S H X S+ 0 0 35 -4,-2.3 4,-1.9 1,-0.2 3,-0.9 0.918 114.8 53.1 -67.2 -46.2 57.2 57.7 51.4 38 46 A I H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.801 105.4 59.5 -61.2 -26.0 57.7 59.1 54.9 39 47 A A H 34 S+ 0 0 40 -5,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.849 108.7 43.3 -66.8 -32.8 61.1 57.5 54.7 40 48 A K H << S+ 0 0 168 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.823 83.2 113.5 -79.4 -39.0 61.8 59.6 51.7 41 49 A Y < - 0 0 45 -4,-1.9 4,-0.1 1,-0.2 -38,-0.0 -0.255 63.8-143.9 -51.1 113.0 60.4 62.8 53.0 42 50 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.001 72.2 67.8 -64.9 14.8 63.3 65.1 53.3 43 51 A H S S- 0 0 106 -5,-0.2 2,-0.7 -2,-0.0 -2,-0.0 -0.973 89.9 -95.7-143.3 158.6 62.0 66.7 56.5 44 52 A K - 0 0 123 -2,-0.3 2,-0.4 1,-0.1 -40,-0.1 -0.606 40.7-131.2 -77.5 112.8 61.2 66.0 60.1 45 53 A I - 0 0 6 -2,-0.7 3,-0.1 -42,-0.2 -38,-0.1 -0.445 27.4-179.4 -66.1 118.9 57.6 65.1 60.4 46 54 A K + 0 0 149 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.617 59.8 0.8 -98.7 -12.9 56.2 67.2 63.2 47 55 A S S > S- 0 0 42 1,-0.2 4,-2.0 22,-0.0 3,-0.2 -0.971 72.1-103.5-164.6 166.7 52.6 66.1 63.3 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.9 1,-0.2 3,-0.2 0.969 116.3 58.3 -60.1 -56.5 50.2 63.8 61.7 49 57 A A H > S+ 0 0 68 1,-0.3 4,-0.6 2,-0.3 -1,-0.2 0.753 108.3 48.0 -40.3 -41.1 48.5 66.4 59.7 50 58 A E H >4 S+ 0 0 41 -3,-0.2 3,-0.9 2,-0.2 4,-0.3 0.884 114.4 45.1 -69.2 -46.7 51.9 67.2 58.1 51 59 A A H >< S+ 0 0 0 -4,-2.0 3,-4.0 1,-0.3 6,-0.3 0.948 103.7 69.0 -58.4 -47.9 52.5 63.6 57.5 52 60 A K H 3< S+ 0 0 90 -4,-4.9 -1,-0.3 1,-0.3 -2,-0.2 0.654 81.0 71.0 -39.7 -36.8 49.0 63.5 56.2 53 61 A K T << S+ 0 0 152 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.733 83.6 104.2 -58.4 -22.6 49.9 65.6 53.3 54 62 A L S < S- 0 0 31 -3,-4.0 2,-0.6 -4,-0.3 -20,-0.0 -0.183 81.6-115.4 -64.7 157.0 51.7 62.5 52.1 55 63 A P S S+ 0 0 98 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.806 106.3 27.8 -90.6 120.2 50.4 60.2 49.5 56 64 A G S S+ 0 0 31 -2,-0.6 2,-0.4 1,-0.3 -22,-0.2 -0.238 97.4 103.0 117.0 -40.9 49.8 56.9 51.2 57 65 A V + 0 0 9 -6,-0.3 -1,-0.3 -23,-0.1 2,-0.2 -0.596 48.6 176.1 -81.6 129.7 49.1 58.4 54.6 58 66 A G > - 0 0 30 -2,-0.4 4,-1.6 -3,-0.1 5,-0.2 -0.433 52.1 -77.9-114.0-169.7 45.5 58.5 55.4 59 67 A T H > S+ 0 0 88 1,-0.2 4,-1.7 -2,-0.2 -7,-0.1 0.831 124.2 59.6 -62.1 -29.6 43.6 59.5 58.4 60 68 A K H > S+ 0 0 137 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.912 109.4 35.6 -61.6 -56.0 44.5 56.2 60.0 61 69 A I H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.713 111.3 64.2 -73.0 -28.2 48.3 56.3 60.1 62 70 A A H X S+ 0 0 10 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.972 101.3 52.3 -59.4 -52.5 48.1 60.0 60.7 63 71 A E H X S+ 0 0 130 -4,-1.7 4,-1.5 1,-0.3 5,-0.2 0.898 108.2 47.9 -50.0 -51.4 46.5 59.2 63.9 64 72 A K H X S+ 0 0 31 -4,-1.2 4,-1.9 1,-0.2 -1,-0.3 0.880 107.5 58.1 -61.0 -37.0 49.1 56.8 65.0 65 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.922 102.6 53.6 -60.7 -42.2 51.8 59.3 64.1 66 74 A D H X S+ 0 0 69 -4,-2.1 4,-4.6 1,-0.2 3,-0.4 0.976 108.5 46.9 -54.1 -61.8 50.4 61.8 66.4 67 75 A E H X S+ 0 0 76 -4,-1.5 4,-2.7 1,-0.3 6,-0.5 0.785 115.1 47.4 -48.5 -38.1 50.4 59.6 69.5 68 76 A F H < S+ 0 0 47 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.901 114.1 45.6 -75.9 -37.2 53.8 58.5 68.8 69 77 A L H < S+ 0 0 57 -4,-2.7 -2,-0.2 -3,-0.4 -3,-0.2 0.975 118.4 45.3 -65.6 -50.9 55.0 61.9 68.2 70 78 A A H < S+ 0 0 81 -4,-4.6 2,-0.4 -5,-0.3 -2,-0.2 0.973 125.9 21.7 -53.2 -68.9 53.2 63.0 71.3 71 79 A T S < S- 0 0 64 -4,-2.7 2,-2.3 2,-0.3 -1,-0.2 -0.890 89.5-110.6-105.9 133.0 54.2 60.2 73.7 72 80 A G S S+ 0 0 76 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.347 94.8 38.8 -46.2 14.5 57.3 58.1 73.1 73 81 A K S S- 0 0 113 -2,-2.3 2,-0.3 -6,-0.5 -2,-0.3 -0.815 72.4-119.3-149.0-170.4 55.1 55.1 72.3 74 82 A L > - 0 0 3 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.996 13.5-147.8-137.4 132.3 52.0 53.6 70.7 75 83 A R H > S+ 0 0 154 -2,-0.3 4,-3.8 2,-0.2 5,-0.2 0.982 101.5 49.0 -68.0 -51.3 49.3 51.7 72.6 76 84 A K H > S+ 0 0 82 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.870 114.2 49.3 -52.0 -37.0 48.4 49.4 69.8 77 85 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.950 110.8 48.2 -69.5 -45.4 52.0 48.8 69.5 78 86 A E H X S+ 0 0 76 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.927 113.2 48.6 -58.7 -45.5 52.4 48.2 73.2 79 87 A K H >X S+ 0 0 124 -4,-3.8 4,-2.5 2,-0.2 3,-0.7 0.956 114.0 43.2 -59.8 -55.9 49.5 45.8 73.3 80 88 A I H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 111.5 56.3 -57.0 -40.8 50.6 43.7 70.3 81 89 A R H 3< S+ 0 0 181 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.788 113.9 40.8 -62.6 -29.1 54.1 43.7 71.6 82 90 A Q H << S+ 0 0 135 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.974 89.5 101.6 -81.4 -60.0 52.8 42.2 74.8 83 91 A D X - 0 0 75 -4,-2.5 4,-1.8 1,-0.1 5,-0.1 0.036 61.7-145.6 -36.4 120.5 50.2 39.7 73.6 84 92 A D H > S+ 0 0 94 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.846 91.8 57.4 -60.7 -43.8 51.3 36.1 73.6 85 93 A T H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.970 112.7 42.2 -54.7 -53.1 49.4 34.8 70.5 86 94 A S H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 113.5 53.7 -61.1 -37.3 51.1 37.4 68.4 87 95 A S H X S+ 0 0 49 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.956 106.4 53.3 -58.2 -49.6 54.4 36.7 70.2 88 96 A S H >X S+ 0 0 13 -4,-3.4 4,-2.6 1,-0.2 3,-0.6 0.819 106.0 51.0 -52.7 -46.2 54.1 33.1 69.5 89 97 A I H 3X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.929 105.5 55.2 -62.5 -46.7 53.6 33.4 65.8 90 98 A N H 3< S+ 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.728 114.3 44.8 -59.6 -16.5 56.6 35.6 65.4 91 99 A F H X< S+ 0 0 62 -4,-0.7 3,-1.5 -3,-0.6 -2,-0.2 0.873 108.7 48.4 -93.2 -47.4 58.5 32.9 67.1 92 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.9 1,-0.3 6,-0.2 0.953 101.1 69.7 -56.5 -46.1 57.4 29.7 65.4 93 101 A T T 3< S+ 0 0 44 -4,-2.1 -1,-0.3 1,-0.3 5,-0.2 0.700 81.8 76.5 -42.3 -28.0 58.0 31.5 62.2 94 102 A R T < S+ 0 0 115 -3,-1.5 2,-0.5 -5,-0.2 -1,-0.3 0.616 74.2 95.2 -65.4 -11.8 61.7 31.3 63.0 95 103 A V S X S- 0 0 3 -3,-2.9 3,-3.5 -4,-0.1 37,-0.1 -0.769 87.8-113.9 -88.8 123.7 61.8 27.7 62.0 96 104 A S T 3 S+ 0 0 43 -2,-0.5 35,-0.3 1,-0.3 36,-0.2 -0.369 110.3 26.5 -53.2 128.4 62.8 26.9 58.4 97 105 A G T 3 S+ 0 0 30 1,-0.2 2,-0.6 34,-0.1 -1,-0.3 0.093 100.8 103.4 97.4 -15.5 59.7 25.5 56.9 98 106 A I < + 0 0 9 -3,-3.5 -1,-0.2 -5,-0.2 -3,-0.0 -0.904 45.1 167.8-105.0 122.0 57.4 27.4 59.3 99 107 A G > - 0 0 29 -2,-0.6 4,-2.6 -3,-0.1 5,-0.1 -0.422 54.1 -79.6-113.8-171.2 55.7 30.4 57.8 100 108 A P H > S+ 0 0 40 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.852 125.3 54.6 -64.1 -34.6 52.9 32.6 59.0 101 109 A S H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.969 113.6 36.6 -65.6 -55.3 50.3 30.1 57.9 102 110 A A H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.902 114.9 59.2 -64.6 -35.2 51.5 27.2 59.7 103 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.959 108.3 44.1 -56.1 -51.3 52.6 29.5 62.6 104 112 A R H X S+ 0 0 51 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.870 114.4 51.6 -61.0 -34.5 49.0 30.6 63.1 105 113 A K H < S+ 0 0 105 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.928 109.9 45.7 -69.3 -42.5 47.8 27.1 62.7 106 114 A F H ><>S+ 0 0 0 -4,-3.1 5,-4.4 1,-0.2 3,-0.9 0.851 111.7 54.5 -66.8 -33.0 50.0 25.6 65.3 107 115 A V H ><5S+ 0 0 5 -4,-2.1 3,-2.0 -5,-0.3 -1,-0.2 0.956 102.7 55.3 -64.8 -47.1 49.3 28.4 67.6 108 116 A D T 3<5S+ 0 0 122 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.588 110.5 46.2 -63.3 -8.7 45.6 27.7 67.3 109 117 A E T < 5S- 0 0 106 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.281 126.1-101.2-108.7 -3.7 46.3 24.1 68.4 110 118 A G T < 5S+ 0 0 38 -3,-2.0 2,-1.2 -4,-0.3 3,-0.3 0.605 75.8 138.5 96.4 6.7 48.4 25.2 71.1 111 119 A I < + 0 0 6 -5,-4.4 -1,-0.3 1,-0.2 -2,-0.1 -0.731 18.3 143.4 -86.5 108.2 51.9 24.6 69.8 112 120 A K + 0 0 69 -2,-1.2 2,-0.2 -3,-0.1 -1,-0.2 0.736 50.7 50.1-113.0 -32.3 53.6 27.8 71.0 113 121 A T S > S- 0 0 62 -3,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.585 83.0-108.9-109.4 172.9 57.0 26.7 71.9 114 122 A L H > S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.679 121.4 51.2 -65.7 -22.0 59.9 24.9 70.5 115 123 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.1 3,-0.5 0.924 104.1 55.6 -81.0 -44.8 59.2 22.1 73.0 116 124 A D H > S+ 0 0 44 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.868 105.1 56.9 -50.9 -38.8 55.6 22.0 71.9 117 125 A L H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.907 104.7 49.1 -63.5 -40.8 57.1 21.5 68.6 118 126 A R H >< S+ 0 0 126 -4,-1.0 3,-2.4 -3,-0.5 -2,-0.2 0.973 105.8 54.8 -61.2 -53.6 59.0 18.5 69.6 119 127 A K H 3< S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.574 117.8 39.8 -51.6 -20.0 56.1 16.8 71.3 120 128 A N T X< + 0 0 38 -4,-0.8 3,-2.4 -3,-0.7 4,-0.3 -0.100 66.9 135.8-125.1 33.1 54.3 17.2 68.1 121 129 A E G X S+ 0 0 98 -3,-2.4 3,-1.4 1,-0.3 -2,-0.1 0.746 70.2 67.6 -52.0 -24.0 56.9 16.5 65.5 122 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.875 90.6 61.1 -66.6 -32.5 54.4 14.4 63.8 123 131 A K G < S+ 0 0 79 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.3 0.524 97.7 81.2 -68.3 -6.8 52.4 17.5 63.0 124 132 A L S < S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.3 -27,-0.0 -0.754 72.7-136.3-103.9 145.8 55.5 18.7 61.0 125 133 A N > - 0 0 86 -2,-0.3 4,-1.6 -28,-0.1 5,-0.2 -0.382 40.1 -87.1 -90.7 178.1 56.6 17.9 57.6 126 134 A H H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 125.4 48.1 -51.0 -46.6 60.1 17.0 56.5 127 135 A H H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.998 115.1 46.4 -57.7 -61.0 61.3 20.6 55.9 128 136 A Q H > S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.682 109.2 58.1 -51.0 -25.8 59.9 21.7 59.2 129 137 A R H X S+ 0 0 95 -4,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.957 108.7 42.3 -74.5 -46.6 61.5 18.6 60.7 130 138 A I H X S+ 0 0 7 -4,-2.4 4,-2.7 -3,-0.4 -2,-0.2 0.928 111.3 56.6 -62.3 -41.2 64.9 19.5 59.7 131 139 A G H < S+ 0 0 1 -4,-3.0 4,-0.4 -35,-0.3 -1,-0.2 0.916 110.3 45.3 -53.7 -46.2 64.2 23.1 60.6 132 140 A L H >< S+ 0 0 11 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.887 111.4 52.6 -64.3 -41.5 63.4 22.0 64.1 133 141 A K H 3< S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.860 119.8 32.0 -66.4 -37.9 66.3 19.8 64.3 134 142 A Y T 3X S+ 0 0 20 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.238 77.3 127.1-109.5 20.3 68.8 22.4 63.3 135 143 A F H <> S+ 0 0 24 -3,-0.7 4,-0.9 -4,-0.4 -1,-0.2 0.842 76.0 47.1 -36.9 -56.2 67.0 25.4 64.8 136 144 A G H >> S+ 0 0 38 -4,-0.3 3,-3.1 -3,-0.2 4,-0.7 0.970 116.2 39.8 -54.1 -77.6 70.2 26.4 66.7 137 145 A D H >4 S+ 0 0 34 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.779 109.5 65.9 -45.4 -29.3 72.8 26.1 63.9 138 146 A F H 3< S+ 0 0 41 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.818 100.3 47.2 -67.3 -25.3 70.2 27.6 61.6 139 147 A E H << S+ 0 0 101 -3,-3.1 -1,-0.2 -4,-0.9 -2,-0.2 0.571 95.7 101.9 -87.7 -12.6 70.3 30.9 63.4 140 148 A K S << S- 0 0 107 -4,-0.7 2,-0.1 -3,-0.6 -3,-0.0 -0.404 71.0-124.0 -76.1 144.4 74.0 31.0 63.4 141 149 A R - 0 0 141 -2,-0.1 40,-0.2 1,-0.0 -1,-0.1 -0.374 25.6-116.0 -80.8 162.0 76.2 33.0 61.1 142 150 A I E -A 180 0A 1 38,-2.9 38,-1.2 -2,-0.1 40,-0.1 -0.897 22.4-132.5-106.1 117.4 78.9 31.4 58.9 143 151 A P E >> -A 179 0A 37 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.375 12.1-133.6 -64.5 143.6 82.5 32.4 59.5 144 152 A R H 3> S+ 0 0 62 34,-1.9 4,-2.0 1,-0.3 5,-0.3 0.866 109.7 65.2 -61.7 -31.8 84.3 33.2 56.4 145 153 A E H 3> S+ 0 0 122 33,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.889 109.0 38.1 -54.2 -42.0 87.0 31.0 57.8 146 154 A E H <> S+ 0 0 28 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.793 108.0 64.6 -76.6 -36.0 84.5 28.2 57.4 147 155 A M H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.880 102.6 47.6 -53.7 -45.3 83.1 29.5 54.1 148 156 A L H X S+ 0 0 73 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.770 110.7 52.9 -67.5 -35.9 86.5 29.0 52.3 149 157 A Q H X S+ 0 0 63 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.977 112.9 43.6 -65.4 -49.7 86.7 25.5 53.8 150 158 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.946 112.4 51.1 -52.1 -60.3 83.3 24.6 52.5 151 159 A Q H X S+ 0 0 61 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.835 106.0 58.0 -47.4 -42.8 83.8 26.2 49.1 152 160 A D H X S+ 0 0 87 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.965 108.4 44.4 -55.1 -55.2 87.0 24.3 48.8 153 161 A I H X S+ 0 0 40 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.937 113.4 48.8 -58.8 -50.7 85.2 21.0 49.2 154 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.945 109.1 52.5 -57.4 -48.5 82.3 21.7 46.9 155 163 A L H X S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.888 109.2 50.8 -52.6 -43.9 84.5 23.0 44.1 156 164 A N H X S+ 0 0 79 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.860 111.5 44.2 -66.0 -40.6 86.6 19.8 44.2 157 165 A E H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.969 109.7 55.3 -69.6 -46.7 83.9 17.4 44.0 158 166 A V H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 7,-0.3 0.855 113.9 44.8 -46.5 -43.2 82.1 19.2 41.3 159 167 A K H < S+ 0 0 131 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 108.4 53.0 -69.2 -50.4 85.3 19.0 39.4 160 168 A K H < S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.831 110.8 49.5 -57.1 -33.8 86.0 15.5 40.1 161 169 A V H < S- 0 0 53 -4,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.969 134.4 -6.2 -69.6 -54.4 82.5 14.5 38.8 162 170 A D >< - 0 0 48 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.3 -0.967 55.5-153.5-146.2 125.2 82.7 16.5 35.6 163 171 A S T 3 S+ 0 0 71 -2,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.652 94.1 68.2 -71.3 -14.9 85.4 18.7 34.6 164 172 A E T 3 S+ 0 0 109 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.654 77.6 114.5 -76.2 -18.7 83.1 20.7 32.5 165 173 A Y < - 0 0 18 -3,-1.2 2,-0.4 -7,-0.3 24,-0.2 -0.195 50.4-160.0 -57.1 148.7 81.3 21.9 35.6 166 174 A I E +B 188 0B 60 22,-1.4 22,-2.3 2,-0.0 2,-0.4 -0.984 13.6 178.1-135.9 117.2 81.3 25.6 36.4 167 175 A A E -B 187 0B 22 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.966 12.2-178.9-132.1 141.6 80.6 26.7 39.9 168 176 A T E -B 186 0B 32 18,-1.9 18,-3.8 -2,-0.4 2,-0.9 -0.995 21.5-143.3-136.4 130.2 80.4 30.0 41.8 169 177 A V E -B 185 0B 8 -2,-0.4 16,-0.2 16,-0.3 -2,-0.0 -0.841 33.6-177.2 -94.5 113.7 79.6 30.6 45.3 170 178 A C + 0 0 2 14,-2.3 4,-0.4 -2,-0.9 14,-0.3 0.133 30.9 74.2 -91.3-150.7 77.8 33.8 45.2 171 179 A G S > S- 0 0 17 93,-0.5 4,-1.1 1,-0.2 3,-0.4 -0.294 104.4 -41.6 81.1-165.4 76.4 35.9 48.0 172 180 A S T 4>S+ 0 0 25 2,-0.2 5,-0.6 1,-0.2 -1,-0.2 0.855 132.9 67.0 -66.2 -40.6 78.1 38.2 50.4 173 181 A F T >45S+ 0 0 14 1,-0.3 3,-0.8 -3,-0.2 -1,-0.2 0.831 102.0 48.9 -48.2 -37.1 80.8 35.6 50.8 174 182 A R T 345S+ 0 0 49 -4,-0.4 2,-0.5 -3,-0.4 -1,-0.3 0.892 103.7 59.2 -68.2 -47.4 81.5 36.4 47.2 175 183 A R T 3<5S- 0 0 67 -4,-1.1 2,-1.1 90,-0.2 -1,-0.3 -0.045 125.2 -99.7 -74.4 29.7 81.5 40.1 48.0 176 184 A G T < 5 + 0 0 32 -3,-0.8 -3,-0.1 -2,-0.5 -1,-0.1 -0.242 65.8 166.8 83.6 -46.9 84.4 39.6 50.6 177 185 A A < - 0 0 31 -2,-1.1 -1,-0.2 -5,-0.6 146,-0.0 0.524 42.4-129.7 -6.1 130.6 82.0 39.6 53.7 178 186 A E S S+ 0 0 147 -35,-0.1 -34,-1.9 -34,-0.1 2,-0.3 0.680 88.5 8.1 -66.2 -20.7 83.3 38.4 57.1 179 187 A S E -A 143 0A 39 -36,-0.2 2,-0.3 -35,-0.1 -38,-0.0 -0.970 66.6-158.1-153.8 167.6 80.4 36.1 57.5 180 188 A S E -A 142 0A 2 -38,-1.2 -38,-2.9 -2,-0.3 3,-0.1 -0.964 22.1-130.9-149.8 159.7 77.4 34.8 55.6 181 189 A G S S- 0 0 34 -2,-0.3 65,-0.3 1,-0.3 2,-0.3 0.826 83.0 -19.1 -79.7 -41.1 74.0 33.2 56.3 182 190 A D S S- 0 0 60 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.959 74.4 -91.6-161.1 164.7 74.1 30.2 54.0 183 191 A M E - c 0 247B 2 63,-1.9 65,-2.8 -2,-0.3 2,-0.7 -0.794 30.8-167.1 -96.5 120.4 76.0 29.0 51.0 184 192 A D E - c 0 248B 31 -2,-0.6 -14,-2.3 -14,-0.3 2,-0.7 -0.877 4.3-168.6-101.9 110.7 74.7 29.7 47.4 185 193 A V E -Bc 169 249B 1 63,-3.2 65,-1.8 -2,-0.7 2,-0.5 -0.896 9.1-151.9-106.8 111.9 76.4 27.8 44.8 186 194 A L E -Bc 168 250B 1 -18,-3.8 -18,-1.9 -2,-0.7 2,-0.4 -0.657 23.5-168.0 -78.0 117.1 75.6 29.0 41.1 187 195 A L E +Bc 167 251B 1 63,-3.1 65,-4.3 -2,-0.5 2,-0.3 -0.921 18.2 153.0-124.1 137.4 76.0 26.1 38.8 188 196 A T E -Bc 166 252B 1 -22,-2.3 -22,-1.4 -2,-0.4 5,-0.1 -0.999 18.9-156.7-153.9 154.2 76.1 25.5 35.0 189 197 A H E > - 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